CHEBI:81152 - Amaroswerin

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ChEBI Name Amaroswerin
ChEBI ID CHEBI:81152
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H30O14
Net Charge 0
Average Mass 602.54010
Monoisotopic Mass 602.16356
InChI InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27-,28-,29+/m0/s1
InChIKey UZYZCCWBBBCDAD-WCYQFIIKSA-N
SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Amaroswerin (CHEBI:81152) is a biphenyls (CHEBI:22888)
Manual Xref Database
C17519 KEGG COMPOUND
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Registry Number Type Source
21233-18-1 CAS Registry Number KEGG COMPOUND